Chemical Properties of 5-Hydroxymarsupellyl acetate

InChI

InChI=1S/C17H26O3/c1-9-11-12-13(14(19)15(9)20-10(2)18)17(11,5)8-6-7-16(12,3)4/h11-15,19H,1,6-8H2,2-5H3/t11?,12?,13?,14-,15-,17+/m0/s1

InChI Key

SSRSFLZAFQCYHK-ADSVNHKOSA-N

Formula

C17H26O3

SMILES

C=C1C(OC(C)=O)C(O)C2C3C1C2(C)CCCC3(C)C

Molecular Weight¹

278.39

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5617		Relay (1.0) Calculated Property
ΔfG°	-109.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-650.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.39	kJ/mol	Joback Calculated Property
ΔvapH°	99.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-3.48		Relay (1.0) Calculated Property
logPoct/wat	2.927		Crippen Calculated Property
McVol	226.820	ml/mol	McGowan Calculated Property
Pc	1898.60	kPa	Joback Calculated Property
Inp	[1860.00; 1860.00]
Inp	1860.00		NIST
Inp	1860.00		NIST
Tboil	581.28	K	Relay (1.0) Calculated Property
Tc	854.08	K	Relay (1.0) Calculated Property
Tfus	416.36	K	Relay (1.0) Calculated Property
Vc	0.792	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[743.67; 859.20]	J/mol×K	[766.55; 973.83]
Cp,gas	743.67	J/mol×K	766.55	Joback Calculated Property
Cp,gas	763.00	J/mol×K	801.10	Joback Calculated Property
Cp,gas	782.03	J/mol×K	835.64	Joback Calculated Property
Cp,gas	800.96	J/mol×K	870.19	Joback Calculated Property
Cp,gas	820.00	J/mol×K	904.73	Joback Calculated Property
Cp,gas	839.34	J/mol×K	939.28	Joback Calculated Property
Cp,gas	859.20	J/mol×K	973.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Hydroxymarsupellyl acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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